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Ligand

NameCHEMBL1922802
Molecular formulaC28H29F3N4O2
IUPAC name2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]azetidin-3-yl]acetamide
Molecular weight510.561
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50359113
Inchi KeyBCYFHAGPLKUFAF-BJMVGYQFSA-N
Inchi IDInChI=1S/C28H29F3N4O2/c29-22-11-16(12-23(30)26(22)31)5-10-25(36)35-14-18(15-35)27(28(32)37)34-19-8-6-17(7-9-19)21-13-33-24-4-2-1-3-20(21)24/h1-5,10-13,17-19,27,33-34H,6-9,14-15H2,(H2,32,37)/b10-5+
PubChem CID57398492
ChEMBLCHEMBL1922802
IUPHARN/A
BindingDB50359113
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20685C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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